3LQ4
E. coli pyruvate dehydrogenase complex E1 E235A mutant with high TDP concentration
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2008-03-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.210, 142.220, 82.850 |
Unit cell angles | 90.00, 101.87, 90.00 |
Refinement procedure
Resolution | 32.520 - 1.980 |
Rwork | 0.199 |
R-free | 0.23600 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | 2iea |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.520 | 2.100 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.106 | 0.308 |
Number of reflections | 108180 | |
<I/σ(I)> | 22.15 | 9.6 |
Completeness [%] | 84.0 | 85.4 |
Redundancy | 2.7 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | PEG2000 MONOMETHYL ETHER, PROPANOL,SODIUM AZIDE, HEPES BUFFER, MAGNESIUM CHLORIDE, THIAMIN DIPHOSPHATE, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |